SCHEMBL30596244

SCHEMBL30596244

O=C1C(O)c2ccccc2N1c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.55
ALOX5 P09917 5/20 0.54
MGLL Q99685 1/20 0.41
AADAT Q8N5Z0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30596239 0.85 ALOX5 (0.56) MAPK14ALOX5MGLLKDM4EALDH1A1
SCHEMBL2978602 0.78 ALOX5 (0.50) MAPK14ALOX5MGLLKDM4EALDH1A1
SCHEMBL11226834 0.78 ALOX5 (0.53) MAPK14ALOX5MGLLKDM4EALDH1A1
SCHEMBL28459546 0.76 MGLL (0.45) MAPK14MGLLAADATKDM4EALDH1A1
SCHEMBL32677307 0.75 MEN1 (0.47) MGLLALDH1A1GAA
SCHEMBL22631177 0.69 AADAT (0.58) AADATKDM4EALDH1A1GAA
SCHEMBL17974970 0.67 MEN1 (0.49) AADATKDM4EALDH1A1GAA
SCHEMBL30363357 0.67 AADAT (0.43) AADATKDM4EALDH1A1GAA
SCHEMBL11409331 0.66 CES1 (0.58) MAPK14MGLLALDH1A1GAA
SCHEMBL30596240 0.66 CES1 (0.58) MAPK14MGLLALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836102-A Method for preparing sodium diclofenac chloro impurity (3-chloro-N- (2, 6-dichlorophenyl) indol-2-one) 河南东泰制药有限公司 2023-10-03 CN claimed
CN-116836102-A Method for preparing sodium diclofenac chloro impurity (3-chloro-N- (2, 6-dichlorophenyl) indol-2-one) 河南东泰制药有限公司 2023-10-03 CN disclosed
CN-116836102-A Method for preparing sodium diclofenac chloro impurity (3-chloro-N- (2, 6-dichlorophenyl) indol-2-one) 河南东泰制药有限公司 2023-10-03 CN disclosed